Comparison Study of HOMO-LUMO Energy Gaps for Tautomerism of Triazoles in Different Solvents Using Theoretical Calculations

The phenomena of the tautomerism forms of the substituted triazoles compounds which are named [1-A] (5-phenyl-1H-1,2,4-triazol-3-amine), [1-B] (3-phenyl-1H-1,2,4-triazol-5-amine), [2-A] (5-(pyridin-2-yl)-1H-1,2,4-triazol-3-amine), [2-B] (3-(pyridin-2-yl)-1H-1,2,4-triazol-5-amine), [3-A] (5-(pyridin...

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Bibliografische Detailangaben

Hauptverfasser:	Ammar A. Ibrahim, Maher A. Ibrahim, Entesar A. Sulliman, Simaa M. Daood, Ghasan Q. Ismael
Format:	Artigo
Sprache:	Inglês
Veröffentlicht:	Northern Technical University 2021-12-01
Schriftenreihe:	NTU Journal of Pure Sciences
Schlagworte:	HOMO, LUMO, Tautomerism, Solvent effect, Theoretical Calculation
Online-Zugang:	https://journals.ntu.edu.iq/index.php/NTU-JPS/article/view/149
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